{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.198303 0.020608 0.400234 ] [ 0.301697 0.520608 0.099766 ] [ 0.801697 0.979392 0.599766 ] [ 0.698303 0.479392 0.900234 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.410024 0.905291 0.784355 ] [ 0.089976 0.405291 0.715645 ] [ 0.589976 0.094709 0.215645 ] [ 0.910024 0.594709 0.284355 ] [ 0.233162 0.239851 0.512738 ] [ 0.266838 0.739851 0.987262 ] [ 0.766838 0.760149 0.487262 ] [ 0.733162 0.260149 0.012738 ] [ 0.768127 0.698107 0.02027 ] [ 0.731873 0.198107 0.47973 ] [ 0.231873 0.301893 0.97973 ] [ 0.268127 0.801893 0.52027 ] [ 0.038982 0.030023 0.720054 ] [ 0.461018 0.530023 0.779946 ] [ 0.961018 0.969977 0.279946 ] [ 0.538982 0.469977 0.220054 ] [ 0.313082 0.037537 0.276071 ] [ 0.186918 0.537537 0.223929 ] [ 0.686918 0.962463 0.723929 ] [ 0.813082 0.462463 0.776071 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.57781006807 "source-unit" "angstrom" } "b" { "source-value" 6.3796363 "source-unit" "angstrom" } "c" { "source-value" 9.46576027292 "source-unit" "angstrom" } "beta" { "source-value" 112.75446957 "source-unit" "degree" } }